4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde

C164H120N12O6 — CID 162137498

IUPAC4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde
SMILESO=Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C=O)cc6)cc5)cc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H64N6O4.C80H56N6O2/c1-5-17-61(18-6-1)85(62-19-7-2-8-20-62)65-37-39-66(40-38-65)86(67-41-45-69(46-42-67)87(63-21-9-3-10-22-63)73-49-51-81-77(57-73)75-25-13-15-27-79(75)89(81)71-33-29-59(30-34-71)83-91-53-54-92-83)68-43-47-70(48-44-68)88(64-23-11-4-12-24-64)74-50-52-82-78(58-74)76-26-14-16-28-80(76)90(82)72-35-31-60(32-36-72)84-93-55-56-94-84;87-55-57-29-33-69(34-30-57)85-77-27-15-13-25-73(77)75-53-71(49-51-79(75)85)83(61-21-9-3-10-22-61)67-45-41-65(42-46-67)82(64-39-37-63(38-40-64)81(59-17-5-1-6-18-59)60-19-7-2-8-20-60)66-43-47-68(48-44-66)84(62-23-11-4-12-24-62)72-50-52-80-76(54-72)74-26-14-16-28-78(74)86(80)70-35-31-58(56-88)32-36-70/h1-52,57-58,83-84H,53-56H2;1-56H
InChIKeyZJMFPYMJLLLPGF-UHFFFAOYSA-N
MW2354.84 g/mol
LogP43.24
Rot. Bonds32

About 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde

4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde (PubChem CID 162137498) has the molecular formula C164H120N12O6 and a molecular weight of 2354.84 g/mol. Its IUPAC name is 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde
PubChem CID162137498
Molecular FormulaC164H120N12O6
Molecular Weight2354.84 g/mol
Exact Mass2352.95
IUPAC Name4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde
SMILESO=Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C=O)cc6)cc5)cc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H64N6O4.C80H56N6O2/c1-5-17-61(18-6-1)85(62-19-7-2-8-20-62)65-37-39-66(40-38-65)86(67-41-45-69(46-42-67)87(63-21-9-3-10-22-63)73-49-51-81-77(57-73)75-25-13-15-27-79(75)89(81)71-33-29-59(30-34-71)83-91-53-54-92-83)68-43-47-70(48-44-68)88(64-23-11-4-12-24-64)74-50-52-82-78(58-74)76-26-14-16-28-80(76)90(82)72-35-31-60(32-36-72)84-93-55-56-94-84;87-55-57-29-33-69(34-30-57)85-77-27-15-13-25-73(77)75-53-71(49-51-79(75)85)83(61-21-9-3-10-22-61)67-45-41-65(42-46-67)82(64-39-37-63(38-40-64)81(59-17-5-1-6-18-59)60-19-7-2-8-20-60)66-43-47-68(48-44-66)84(62-23-11-4-12-24-62)72-50-52-80-76(54-72)74-26-14-16-28-78(74)86(80)70-35-31-58(56-88)32-36-70/h1-52,57-58,83-84H,53-56H2;1-56H
InChIKeyZJMFPYMJLLLPGF-UHFFFAOYSA-N
XLogP43.24
TPSA116.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002354.84
LogP ≤ 543.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde with MolForge

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde?
The IUPAC name of 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde (CID 162137498) is 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde.
What is the SMILES notation for 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde?
The canonical SMILES for 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde is O=Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C=O)cc6)cc5)cc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C5OCCO5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde?
The InChIKey is ZJMFPYMJLLLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64N6O4.C80H56N6O2/c1-5-17-61(18-6-1)85(62-19-7-2-8-20-62)65-37-39-66(40-38-65)86(67-41-45-69(46-42-67)87(63-21-9-3-10-22-63)73-49-51-81-77(57-73)75-25-13-15-27-79(75)89(81)71-33-29-59(30-34-71)83-91-53-54-92-83)68-43-47-70(48-44-68)88(64-23-11-4-12-24-64)74-50-52-82-78(58-74)76-26-14-16-28-80(76)90(82)72-35-31-60(32-36-72)84-93-55-56-94-84;87-55-57-29-33-69(34-30-57)85-77-27-15-13-25-73(77)75-53-71(49-51-79(75)85)83(61-21-9-3-10-22-61)67-45-41-65(42-46-67)82(64-39-37-63(38-40-64)81(59-17-5-1-6-18-59)60-19-7-2-8-20-60)66-43-47-68(48-44-66)84(62-23-11-4-12-24-62)72-50-52-80-76(54-72)74-26-14-16-28-78(74)86(80)70-35-31-58(56-88)32-36-70/h1-52,57-58,83-84H,53-56H2;1-56H.
What are the key properties of 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde?
4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde has a molecular weight of 2354.84 g/mol, XLogP of 43.24, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[4-(N-[9-[4-(1,3-dioxolan-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-[3-(N-[4-[N-[4-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)carbazol-9-yl]benzaldehyde is sourced from PubChem (CID 162137498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).