N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine

C63H42N2 — CID 167215207

IUPACN-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C63H42N2/c1-3-21-47(22-4-1)63(57-29-13-11-27-53(57)54-28-12-14-30-58(54)63)48-36-40-62-56(42-48)55-41-46(35-39-61(55)64(62)49-23-5-2-6-24-49)43-33-37-50(38-34-43)65(59-31-15-19-44-17-7-9-25-51(44)59)60-32-16-20-45-18-8-10-26-52(45)60/h1-42H
InChIKeyUMZKROBTMQOQGN-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.59
Rot. Bonds7

About N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine

N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine (PubChem CID 167215207) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
PubChem CID167215207
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC NameN-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C63H42N2/c1-3-21-47(22-4-1)63(57-29-13-11-27-53(57)54-28-12-14-30-58(54)63)48-36-40-62-56(42-48)55-41-46(35-39-61(55)64(62)49-23-5-2-6-24-49)43-33-37-50(38-34-43)65(59-31-15-19-44-17-7-9-25-51(44)59)60-32-16-20-45-18-8-10-26-52(45)60/h1-42H
InChIKeyUMZKROBTMQOQGN-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
CID 167334215
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214979
N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 129293021
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine (CID 167215207) is N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine is c1ccc(-n2c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine?
The InChIKey is UMZKROBTMQOQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-3-21-47(22-4-1)63(57-29-13-11-27-53(57)54-28-12-14-30-58(54)63)48-36-40-62-56(42-48)55-41-46(35-39-61(55)64(62)49-23-5-2-6-24-49)43-33-37-50(38-34-43)65(59-31-15-19-44-17-7-9-25-51(44)59)60-32-16-20-45-18-8-10-26-52(45)60/h1-42H.
What are the key properties of N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine?
N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine has a molecular weight of 827.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 167215207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).