N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine

C231H168N12 — CID 158152946

IUPACN-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)cc1-c1c2ccccc2c(-c2cc(C)c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C)c2ccccc12.Cc1ccc2c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c3ccccc3c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c2c1.c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C79H60N4.C78H58N4.C74H50N4/c1-51-38-41-66-71(44-51)79(68-46-55(5)77(48-53(68)3)81(57-26-12-7-13-27-57)61-40-43-75-70(50-61)63-33-21-23-37-73(63)83(75)59-30-16-9-17-31-59)65-35-19-18-34-64(65)78(66)67-45-54(4)76(47-52(67)2)80(56-24-10-6-11-25-56)60-39-42-74-69(49-60)62-32-20-22-36-72(62)82(74)58-28-14-8-15-29-58;1-51-47-75(79(55-25-9-5-10-26-55)59-41-43-73-69(49-59)61-33-21-23-39-71(61)81(73)57-29-13-7-14-30-57)53(3)45-67(51)77-63-35-17-19-37-65(63)78(66-38-20-18-36-64(66)77)68-46-54(4)76(48-52(68)2)80(56-27-11-6-12-28-56)60-42-44-74-70(50-60)62-34-22-24-40-72(62)82(74)58-31-15-8-16-32-58;1-5-25-53(26-6-1)75(59-43-45-71-67(49-59)61-35-17-19-41-69(61)77(71)55-29-9-3-10-30-55)57-33-21-23-51(47-57)73-63-37-13-15-39-65(63)74(66-40-16-14-38-64(66)73)52-24-22-34-58(48-52)76(54-27-7-2-8-28-54)60-44-46-72-68(50-60)62-36-18-20-42-70(62)78(72)56-31-11-4-12-32-56/h6-50H,1-5H3;5-50H,1-4H3;1-50H
InChIKeyFVILZAXICGGFAX-UHFFFAOYSA-N
MW3111.97 g/mol
LogP64.16
Rot. Bonds30

About N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine

N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 158152946) has the molecular formula C231H168N12 and a molecular weight of 3111.97 g/mol. Its IUPAC name is N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
PubChem CID158152946
Molecular FormulaC231H168N12
Molecular Weight3111.97 g/mol
Exact Mass3109.35
IUPAC NameN-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)cc1-c1c2ccccc2c(-c2cc(C)c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C)c2ccccc12.Cc1ccc2c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c3ccccc3c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c2c1.c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C79H60N4.C78H58N4.C74H50N4/c1-51-38-41-66-71(44-51)79(68-46-55(5)77(48-53(68)3)81(57-26-12-7-13-27-57)61-40-43-75-70(50-61)63-33-21-23-37-73(63)83(75)59-30-16-9-17-31-59)65-35-19-18-34-64(65)78(66)67-45-54(4)76(47-52(67)2)80(56-24-10-6-11-25-56)60-39-42-74-69(49-60)62-32-20-22-36-72(62)82(74)58-28-14-8-15-29-58;1-51-47-75(79(55-25-9-5-10-26-55)59-41-43-73-69(49-59)61-33-21-23-39-71(61)81(73)57-29-13-7-14-30-57)53(3)45-67(51)77-63-35-17-19-37-65(63)78(66-38-20-18-36-64(66)77)68-46-54(4)76(48-52(68)2)80(56-27-11-6-12-28-56)60-42-44-74-70(50-60)62-34-22-24-40-72(62)82(74)58-31-15-8-16-32-58;1-5-25-53(26-6-1)75(59-43-45-71-67(49-59)61-35-17-19-41-69(61)77(71)55-29-9-3-10-30-55)57-33-21-23-51(47-57)73-63-37-13-15-39-65(63)74(66-40-16-14-38-64(66)73)52-24-22-34-58(48-52)76(54-27-7-2-8-28-54)60-44-46-72-68(50-60)62-36-18-20-42-70(62)78(72)56-31-11-4-12-32-56/h6-50H,1-5H3;5-50H,1-4H3;1-50H
InChIKeyFVILZAXICGGFAX-UHFFFAOYSA-N
XLogP64.16
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003111.97
LogP ≤ 564.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine (CID 158152946) is N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine is Cc1cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)cc1-c1c2ccccc2c(-c2cc(C)c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C)c2ccccc12.Cc1ccc2c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c3ccccc3c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c2c1.c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
The InChIKey is FVILZAXICGGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N4.C78H58N4.C74H50N4/c1-51-38-41-66-71(44-51)79(68-46-55(5)77(48-53(68)3)81(57-26-12-7-13-27-57)61-40-43-75-70(50-61)63-33-21-23-37-73(63)83(75)59-30-16-9-17-31-59)65-35-19-18-34-64(65)78(66)67-45-54(4)76(47-52(67)2)80(56-24-10-6-11-25-56)60-39-42-74-69(49-60)62-32-20-22-36-72(62)82(74)58-28-14-8-15-29-58;1-51-47-75(79(55-25-9-5-10-26-55)59-41-43-73-69(49-59)61-33-21-23-39-71(61)81(73)57-29-13-7-14-30-57)53(3)45-67(51)77-63-35-17-19-37-65(63)78(66-38-20-18-36-64(66)77)68-46-54(4)76(48-52(68)2)80(56-27-11-6-12-28-56)60-42-44-74-70(50-60)62-34-22-24-40-72(62)82(74)58-31-15-8-16-32-58;1-5-25-53(26-6-1)75(59-43-45-71-67(49-59)61-35-17-19-41-69(61)77(71)55-29-9-3-10-30-55)57-33-21-23-51(47-57)73-63-37-13-15-39-65(63)74(66-40-16-14-38-64(66)73)52-24-22-34-58(48-52)76(54-27-7-2-8-28-54)60-44-46-72-68(50-60)62-36-18-20-42-70(62)78(72)56-31-11-4-12-32-56/h6-50H,1-5H3;5-50H,1-4H3;1-50H.
What are the key properties of N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine?
N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine has a molecular weight of 3111.97 g/mol, XLogP of 64.16, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 158152946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).