N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine

C236H177N11Si — CID 158270706

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccn4)nc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc1n2-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H50N2Si.C64H48N2.C58H41N3.C50H38N4/c1-64(2)60-27-17-16-26-56(60)57-39-30-48(43-61(57)64)46-28-32-49(33-29-46)66(51-36-41-63-59(44-51)58-42-47(31-40-62(58)65(63)3)45-18-8-4-9-19-45)50-34-37-55(38-35-50)67(52-20-10-5-11-21-52,53-22-12-6-13-23-53)54-24-14-7-15-25-54;1-43-18-29-52(30-19-43)65(54-33-24-48(25-34-54)51-26-37-57-56-16-10-11-17-60(56)64(2,3)61(57)42-51)53-31-22-47(23-32-53)50-28-39-63-59(41-50)58-40-49(45-14-8-5-9-15-45)27-38-62(58)66(63)55-35-20-46(21-36-55)44-12-6-4-7-13-44;1-58(2)54-17-11-10-16-50(54)51-33-22-44(38-55(51)58)41-20-29-48(30-21-41)60(49-31-25-45(59-3)26-32-49)47-27-18-40(19-28-47)43-24-35-57-53(37-43)52-36-42(39-12-6-4-7-13-39)23-34-56(52)61(57)46-14-8-5-9-15-46;1-33-19-25-48-42(28-33)43-31-38(22-26-49(43)54(48)36-13-5-4-6-14-36)53(39-21-24-47(52-32-39)46-18-9-10-27-51-46)37-15-11-12-34(29-37)35-20-23-41-40-16-7-8-17-44(40)50(2,3)45(41)30-35/h4-44H,1-3H3;4-42H,1-3H3;4-38H,1-2H3;4-32H,1-3H3
InChIKeyGIZLGGMETQYNKO-UHFFFAOYSA-N
MW3195.17 g/mol
LogP60.46
Rot. Bonds30

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine (PubChem CID 158270706) has the molecular formula C236H177N11Si and a molecular weight of 3195.17 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine
PubChem CID158270706
Molecular FormulaC236H177N11Si
Molecular Weight3195.17 g/mol
Exact Mass3192.40
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccn4)nc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc1n2-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H50N2Si.C64H48N2.C58H41N3.C50H38N4/c1-64(2)60-27-17-16-26-56(60)57-39-30-48(43-61(57)64)46-28-32-49(33-29-46)66(51-36-41-63-59(44-51)58-42-47(31-40-62(58)65(63)3)45-18-8-4-9-19-45)50-34-37-55(38-35-50)67(52-20-10-5-11-21-52,53-22-12-6-13-23-53)54-24-14-7-15-25-54;1-43-18-29-52(30-19-43)65(54-33-24-48(25-34-54)51-26-37-57-56-16-10-11-17-60(56)64(2,3)61(57)42-51)53-31-22-47(23-32-53)50-28-39-63-59(41-50)58-40-49(45-14-8-5-9-15-45)27-38-62(58)66(63)55-35-20-46(21-36-55)44-12-6-4-7-13-44;1-58(2)54-17-11-10-16-50(54)51-33-22-44(38-55(51)58)41-20-29-48(30-21-41)60(49-31-25-45(59-3)26-32-49)47-27-18-40(19-28-47)43-24-35-57-53(37-43)52-36-42(39-12-6-4-7-13-39)23-34-56(52)61(57)46-14-8-5-9-15-46;1-33-19-25-48-42(28-33)43-31-38(22-26-49(43)54(48)36-13-5-4-6-14-36)53(39-21-24-47(52-32-39)46-18-9-10-27-51-46)37-15-11-12-34(29-37)35-20-23-41-40-16-7-8-17-44(40)50(2,3)45(41)30-35/h4-44H,1-3H3;4-42H,1-3H3;4-38H,1-2H3;4-32H,1-3H3
InChIKeyGIZLGGMETQYNKO-UHFFFAOYSA-N
XLogP60.46
TPSA62.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms248
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003195.17
LogP ≤ 560.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine (CID 158270706) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine is Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccn4)nc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc1n2-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine?
The InChIKey is GIZLGGMETQYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N2Si.C64H48N2.C58H41N3.C50H38N4/c1-64(2)60-27-17-16-26-56(60)57-39-30-48(43-61(57)64)46-28-32-49(33-29-46)66(51-36-41-63-59(44-51)58-42-47(31-40-62(58)65(63)3)45-18-8-4-9-19-45)50-34-37-55(38-35-50)67(52-20-10-5-11-21-52,53-22-12-6-13-23-53)54-24-14-7-15-25-54;1-43-18-29-52(30-19-43)65(54-33-24-48(25-34-54)51-26-37-57-56-16-10-11-17-60(56)64(2,3)61(57)42-51)53-31-22-47(23-32-53)50-28-39-63-59(41-50)58-40-49(45-14-8-5-9-15-45)27-38-62(58)66(63)55-35-20-46(21-36-55)44-12-6-4-7-13-44;1-58(2)54-17-11-10-16-50(54)51-33-22-44(38-55(51)58)41-20-29-48(30-21-41)60(49-31-25-45(59-3)26-32-49)47-27-18-40(19-28-47)43-24-35-57-53(37-43)52-36-42(39-12-6-4-7-13-39)23-34-56(52)61(57)46-14-8-5-9-15-46;1-33-19-25-48-42(28-33)43-31-38(22-26-49(43)54(48)36-13-5-4-6-14-36)53(39-21-24-47(52-32-39)46-18-9-10-27-51-46)37-15-11-12-34(29-37)35-20-23-41-40-16-7-8-17-44(40)50(2,3)45(41)30-35/h4-44H,1-3H3;4-42H,1-3H3;4-38H,1-2H3;4-32H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine has a molecular weight of 3195.17 g/mol, XLogP of 60.46, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine is sourced from PubChem (CID 158270706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).