9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

C72H48N6 — CID 130354115

IUPAC9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc3)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C72H48N6/c1-5-19-55(20-6-1)75(56-21-7-2-8-22-56)59-37-39-69-65(46-59)63-27-13-15-29-67(63)77(69)61-43-53(49-31-33-50(34-32-49)54-42-52-36-35-51-18-17-41-73-71(51)72(52)74-48-54)44-62(45-61)78-68-30-16-14-28-64(68)66-47-60(38-40-70(66)78)76(57-23-9-3-10-24-57)58-25-11-4-12-26-58/h1-48H
InChIKeyABBDTCSSTPXRAL-UHFFFAOYSA-N
MW997.22 g/mol
LogP19.25
Rot. Bonds10

About 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 130354115) has the molecular formula C72H48N6 and a molecular weight of 997.22 g/mol. Its IUPAC name is 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID130354115
Molecular FormulaC72H48N6
Molecular Weight997.22 g/mol
Exact Mass996.39
IUPAC Name9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc3)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C72H48N6/c1-5-19-55(20-6-1)75(56-21-7-2-8-22-56)59-37-39-69-65(46-59)63-27-13-15-29-67(63)77(69)61-43-53(49-31-33-50(34-32-49)54-42-52-36-35-51-18-17-41-73-71(51)72(52)74-48-54)44-62(45-61)78-68-30-16-14-28-64(68)66-47-60(38-40-70(66)78)76(57-23-9-3-10-24-57)58-25-11-4-12-26-58/h1-48H
InChIKeyABBDTCSSTPXRAL-UHFFFAOYSA-N
XLogP19.25
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.22
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
9-[4-[2-methyl-4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130353824
9-[3-methyl-4-[3-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354213
9-[4-[2,5-dimethyl-4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354203
9-[4-methyl-3,5-bis(1,10-phenanthrolin-5-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130352950
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
N,N-diphenyl-9-[4-[7-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,10-phenanthrolin-4-yl]phenyl]carbazol-3-amine
CID 135252609
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
9-[3-methyl-4-(1,10-phenanthrolin-5-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353917

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 130354115) is 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc3)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is ABBDTCSSTPXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N6/c1-5-19-55(20-6-1)75(56-21-7-2-8-22-56)59-37-39-69-65(46-59)63-27-13-15-29-67(63)77(69)61-43-53(49-31-33-50(34-32-49)54-42-52-36-35-51-18-17-41-73-71(51)72(52)74-48-54)44-62(45-61)78-68-30-16-14-28-64(68)66-47-60(38-40-70(66)78)76(57-23-9-3-10-24-57)58-25-11-4-12-26-58/h1-48H.
What are the key properties of 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 997.22 g/mol, XLogP of 19.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 130354115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).