1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile

C180H126N14O2 — CID 160793979

IUPAC1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1
InChIInChI=1S/C60H38N6.C60H44N4O2.C60H44N4/c1-62-42-28-32-46(33-29-42)64(48-35-37-60-54(39-48)52-19-9-11-23-58(52)66(60)44-16-6-3-7-17-44)56-25-13-20-49-50(56)21-12-24-55(49)63(45-30-26-41(40-61)27-31-45)47-34-36-59-53(38-47)51-18-8-10-22-57(51)65(59)43-14-4-2-5-15-43;1-65-47-33-27-43(28-34-47)61(45-31-37-59-53(39-45)51-19-9-11-23-57(51)63(59)41-15-5-3-6-16-41)55-25-13-22-50-49(55)21-14-26-56(50)62(44-29-35-48(66-2)36-30-44)46-32-38-60-54(40-46)52-20-10-12-24-58(52)64(60)42-17-7-4-8-18-42;1-41-27-31-45(32-28-41)61(47-35-37-59-53(39-47)51-19-9-11-23-57(51)63(59)43-15-5-3-6-16-43)55-25-13-22-50-49(55)21-14-26-56(50)62(46-33-29-42(2)30-34-46)48-36-38-60-54(40-48)52-20-10-12-24-58(52)64(60)44-17-7-4-8-18-44/h2-39H;3-40H,1-2H3;3-40H,1-2H3
InChIKeySCEPRQWWMFBJDO-UHFFFAOYSA-N
MW2517.08 g/mol
LogP48.98
Rot. Bonds26

About 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile

1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile (PubChem CID 160793979) has the molecular formula C180H126N14O2 and a molecular weight of 2517.08 g/mol. Its IUPAC name is 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
PubChem CID160793979
Molecular FormulaC180H126N14O2
Molecular Weight2517.08 g/mol
Exact Mass2515.02
IUPAC Name1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1
InChIInChI=1S/C60H38N6.C60H44N4O2.C60H44N4/c1-62-42-28-32-46(33-29-42)64(48-35-37-60-54(39-48)52-19-9-11-23-58(52)66(60)44-16-6-3-7-17-44)56-25-13-20-49-50(56)21-12-24-55(49)63(45-30-26-41(40-61)27-31-45)47-34-36-59-53(38-47)51-18-8-10-22-57(51)65(59)43-14-4-2-5-15-43;1-65-47-33-27-43(28-34-47)61(45-31-37-59-53(39-45)51-19-9-11-23-57(51)63(59)41-15-5-3-6-16-41)55-25-13-22-50-49(55)21-14-26-56(50)62(44-29-35-48(66-2)36-30-44)46-32-38-60-54(40-46)52-20-10-12-24-58(52)64(60)42-17-7-4-8-18-42;1-41-27-31-45(32-28-41)61(47-35-37-59-53(39-47)51-19-9-11-23-57(51)63(59)43-15-5-3-6-16-43)55-25-13-22-50-49(55)21-14-26-56(50)62(46-33-29-42(2)30-34-46)48-36-38-60-54(40-48)52-20-10-12-24-58(52)64(60)44-17-7-4-8-18-44/h2-39H;3-40H,1-2H3;3-40H,1-2H3
InChIKeySCEPRQWWMFBJDO-UHFFFAOYSA-N
XLogP48.98
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002517.08
LogP ≤ 548.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile with MolForge

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Related Compounds

1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 161201795
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-[4-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine;4-[4-[4-[4-[4-(4-isocyanophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile;[4-[4-[4-[4-[4-(4-methoxyphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]methanol;N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[4-(4-methylphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 159969179
N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine
CID 159855027
1-N,4-N-diphenyl-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]aniline;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 162131164
4-(N-[9-[4-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 140779389
4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole
CID 157385324
4-(N-[3-(4-cyano-N-(4-cyanophenyl)anilino)-5-phenylbenzo[b]carbazol-8-yl]-4-isocyanoanilino)benzonitrile
CID 156626050
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
CID 123647373
4-[[6-[(4-isocyanophenyl)-diphenylsilyl]-9-(4-methoxyphenyl)carbazol-3-yl]-diphenylsilyl]benzonitrile
CID 59469965
5-[3-[N-[9-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 140810338
4-(N-[3-carbazol-9-yl-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-4-cyanoanilino)benzonitrile
CID 154990024

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The IUPAC name of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile (CID 160793979) is 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile.
What is the SMILES notation for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The canonical SMILES for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile is COc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc23)cc1.
What is the InChIKey of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
The InChIKey is SCEPRQWWMFBJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6.C60H44N4O2.C60H44N4/c1-62-42-28-32-46(33-29-42)64(48-35-37-60-54(39-48)52-19-9-11-23-58(52)66(60)44-16-6-3-7-17-44)56-25-13-20-49-50(56)21-12-24-55(49)63(45-30-26-41(40-61)27-31-45)47-34-36-59-53(38-47)51-18-8-10-22-57(51)65(59)43-14-4-2-5-15-43;1-65-47-33-27-43(28-34-47)61(45-31-37-59-53(39-45)51-19-9-11-23-57(51)63(59)41-15-5-3-6-16-41)55-25-13-22-50-49(55)21-14-26-56(50)62(44-29-35-48(66-2)36-30-44)46-32-38-60-54(40-46)52-20-10-12-24-58(52)64(60)42-17-7-4-8-18-42;1-41-27-31-45(32-28-41)61(47-35-37-59-53(39-47)51-19-9-11-23-57(51)63(59)43-15-5-3-6-16-43)55-25-13-22-50-49(55)21-14-26-56(50)62(46-33-29-42(2)30-34-46)48-36-38-60-54(40-48)52-20-10-12-24-58(52)64(60)44-17-7-4-8-18-44/h2-39H;3-40H,1-2H3;3-40H,1-2H3.
What are the key properties of 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile?
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile has a molecular weight of 2517.08 g/mol, XLogP of 48.98, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile is sourced from PubChem (CID 160793979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).