2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine

C78H51N — CID 123763671

IUPAC2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine
SMILESc1ccc(C2=C3C(=C(c4ccc5ccccc5c4)c4c3c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)C(c3ccc4ccccc4c3)=C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H51N/c1-7-28-55(29-8-1)67-68(56-30-9-2-10-31-56)76-75-69(57-32-11-3-12-33-57)70(62-46-43-52-25-19-22-36-59(52)49-62)71(63-47-44-53-26-20-23-37-60(53)50-63)74(75)72(64-48-45-54-27-21-24-38-61(54)51-64)77(76)78(73(67)58-34-13-4-14-35-58)79(65-39-15-5-16-40-65)66-41-17-6-18-42-66/h1-51H
InChIKeyBIWBUCLKDHMKBM-UHFFFAOYSA-N
MW1002.27 g/mol
LogP20.97
Rot. Bonds10

About 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine

2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine (PubChem CID 123763671) has the molecular formula C78H51N and a molecular weight of 1002.27 g/mol. Its IUPAC name is 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine.

Molecular Properties

Compound Name2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine
PubChem CID123763671
Molecular FormulaC78H51N
Molecular Weight1002.27 g/mol
Exact Mass1001.40
IUPAC Name2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine
SMILESc1ccc(C2=C3C(=C(c4ccc5ccccc5c4)c4c3c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)C(c3ccc4ccccc4c3)=C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H51N/c1-7-28-55(29-8-1)67-68(56-30-9-2-10-31-56)76-75-69(57-32-11-3-12-33-57)70(62-46-43-52-25-19-22-36-59(52)49-62)71(63-47-44-53-26-20-23-37-60(53)50-63)74(75)72(64-48-45-54-27-21-24-38-61(54)51-64)77(76)78(73(67)58-34-13-4-14-35-58)79(65-39-15-5-16-40-65)66-41-17-6-18-42-66/h1-51H
InChIKeyBIWBUCLKDHMKBM-UHFFFAOYSA-N
XLogP20.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.27
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene
CID 123663104
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine?
The IUPAC name of 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine (CID 123763671) is 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine.
What is the SMILES notation for 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine?
The canonical SMILES for 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine is c1ccc(C2=C3C(=C(c4ccc5ccccc5c4)c4c3c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c4N(c3ccccc3)c3ccccc3)C(c3ccc4ccccc4c3)=C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine?
The InChIKey is BIWBUCLKDHMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N/c1-7-28-55(29-8-1)67-68(56-30-9-2-10-31-56)76-75-69(57-32-11-3-12-33-57)70(62-46-43-52-25-19-22-36-59(52)49-62)71(63-47-44-53-26-20-23-37-60(53)50-63)74(75)72(64-48-45-54-27-21-24-38-61(54)51-64)77(76)78(73(67)58-34-13-4-14-35-58)79(65-39-15-5-16-40-65)66-41-17-6-18-42-66/h1-51H.
What are the key properties of 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine?
2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine has a molecular weight of 1002.27 g/mol, XLogP of 20.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine is sourced from PubChem (CID 123763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).