9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C61H43N5 — CID 130354239

IUPAC9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCc1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)ccc1-c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C61H43N5/c1-42-39-46(28-34-54(42)57-35-29-45-25-24-44-15-14-38-62-60(44)61(45)63-57)43-26-30-51(31-27-43)66-58-36-32-52(64(47-16-6-2-7-17-47)48-18-8-3-9-19-48)40-55(58)56-41-53(33-37-59(56)66)65(49-20-10-4-11-21-49)50-22-12-5-13-23-50/h2-41H,1H3
InChIKeyZSYYPWCVDJMIEB-UHFFFAOYSA-N
MW846.05 g/mol
LogP16.46
Rot. Bonds9

About 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 130354239) has the molecular formula C61H43N5 and a molecular weight of 846.05 g/mol. Its IUPAC name is 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID130354239
Molecular FormulaC61H43N5
Molecular Weight846.05 g/mol
Exact Mass845.35
IUPAC Name9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCc1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)ccc1-c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C61H43N5/c1-42-39-46(28-34-54(42)57-35-29-45-25-24-44-15-14-38-62-60(44)61(45)63-57)43-26-30-51(31-27-43)66-58-36-32-52(64(47-16-6-2-7-17-47)48-18-8-3-9-19-48)40-55(58)56-41-53(33-37-59(56)66)65(49-20-10-4-11-21-49)50-22-12-5-13-23-50/h2-41H,1H3
InChIKeyZSYYPWCVDJMIEB-UHFFFAOYSA-N
XLogP16.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.05
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[2-methyl-4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130353824
9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
9-[4-[2,5-dimethyl-4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354203
9-[3-methyl-4-(1,10-phenanthrolin-5-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353917
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730144
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
9-[3-methyl-4-[3-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354213
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline
CID 135252502
9-[3-[4-(1,10-phenanthrolin-3-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354115
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730142
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 162219432

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 130354239) is 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is Cc1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)ccc1-c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is ZSYYPWCVDJMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N5/c1-42-39-46(28-34-54(42)57-35-29-45-25-24-44-15-14-38-62-60(44)61(45)63-57)43-26-30-51(31-27-43)66-58-36-32-52(64(47-16-6-2-7-17-47)48-18-8-3-9-19-48)40-55(58)56-41-53(33-37-59(56)66)65(49-20-10-4-11-21-49)50-22-12-5-13-23-50/h2-41H,1H3.
What are the key properties of 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 846.05 g/mol, XLogP of 16.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 130354239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).