9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane

C113H84N4 — CID 159335093

IUPAC9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C61H42N2.C51H38N2.CH4/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(51-36-31-45(32-37-51)46-33-40-60-56(41-46)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48;1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35;/h1-42H;3-34H,1-2H3;1H4
InChIKeyLFKVMGIYDQGTOH-UHFFFAOYSA-N
MW1497.94 g/mol
LogP30.48
Rot. Bonds14

About 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane

9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane (PubChem CID 159335093) has the molecular formula C113H84N4 and a molecular weight of 1497.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
PubChem CID159335093
Molecular FormulaC113H84N4
Molecular Weight1497.94 g/mol
Exact Mass1496.67
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C61H42N2.C51H38N2.CH4/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(51-36-31-45(32-37-51)46-33-40-60-56(41-46)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48;1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35;/h1-42H;3-34H,1-2H3;1H4
InChIKeyLFKVMGIYDQGTOH-UHFFFAOYSA-N
XLogP30.48
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms117
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001497.94
LogP ≤ 530.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane (CID 159335093) is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane?
The InChIKey is LFKVMGIYDQGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2.C51H38N2.CH4/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(51-36-31-45(32-37-51)46-33-40-60-56(41-46)55-26-14-16-28-59(55)63(60)49-23-11-4-12-24-49)52-38-39-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48;1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(39-15-7-4-8-16-39)40-26-23-37(24-27-40)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)41-28-21-36(22-29-41)35-13-5-3-6-14-35;/h1-42H;3-34H,1-2H3;1H4.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane?
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane has a molecular weight of 1497.94 g/mol, XLogP of 30.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane is sourced from PubChem (CID 159335093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).