N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

C72H50N2 — CID 170304339

IUPACN-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)Cc4ccccc4-5)c23)cc1
InChIInChI=1S/C72H50N2/c1-5-23-50(24-6-1)60-38-21-26-51-27-22-39-64(71(51)60)62-36-16-19-41-68(62)74(57-44-46-70-65(48-57)63-37-17-20-42-69(63)73(70)56-32-11-4-12-33-56)67-40-18-15-35-59(67)52-43-45-61-58-34-14-13-25-53(58)49-72(66(61)47-52,54-28-7-2-8-29-54)55-30-9-3-10-31-55/h1-48H,49H2
InChIKeyOMNDTLAWJUINMH-UHFFFAOYSA-N
MW943.21 g/mol
LogP18.97
Rot. Bonds9

About N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (PubChem CID 170304339) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
PubChem CID170304339
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC NameN-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)Cc4ccccc4-5)c23)cc1
InChIInChI=1S/C72H50N2/c1-5-23-50(24-6-1)60-38-21-26-51-27-22-39-64(71(51)60)62-36-16-19-41-68(62)74(57-44-46-70-65(48-57)63-37-17-20-42-69(63)73(70)56-32-11-4-12-33-56)67-40-18-15-35-59(67)52-43-45-61-58-34-14-13-25-53(58)49-72(66(61)47-52,54-28-7-2-8-29-54)55-30-9-3-10-31-55/h1-48H,49H2
InChIKeyOMNDTLAWJUINMH-UHFFFAOYSA-N
XLogP18.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 518.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304205
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304172
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 168798245
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 170304515

Frequently Asked Questions

What is the IUPAC name of N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (CID 170304339) is N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)Cc4ccccc4-5)c23)cc1.
What is the InChIKey of N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The InChIKey is OMNDTLAWJUINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-5-23-50(24-6-1)60-38-21-26-51-27-22-39-64(71(51)60)62-36-16-19-41-68(62)74(57-44-46-70-65(48-57)63-37-17-20-42-69(63)73(70)56-32-11-4-12-33-56)67-40-18-15-35-59(67)52-43-45-61-58-34-14-13-25-53(58)49-72(66(61)47-52,54-28-7-2-8-29-54)55-30-9-3-10-31-55/h1-48H,49H2.
What are the key properties of N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine has a molecular weight of 943.21 g/mol, XLogP of 18.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 170304339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).