N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine

C73H49N — CID 169065379

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c2)cc1
InChIInChI=1S/C73H49N/c1-6-21-50(22-7-1)54-37-38-56-48-61(45-41-55(56)47-54)74(69-36-20-35-68-72(69)65-33-18-19-34-67(65)73(68,58-27-12-4-13-28-58)59-29-14-5-15-30-59)60-43-39-51(40-44-60)57-42-46-63-62-31-16-17-32-64(62)70(52-23-8-2-9-24-52)71(66(63)49-57)53-25-10-3-11-26-53/h1-49H
InChIKeyFNNPISZVDUXMFC-UHFFFAOYSA-N
MW940.20 g/mol
LogP19.65
Rot. Bonds9

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine (PubChem CID 169065379) has the molecular formula C73H49N and a molecular weight of 940.20 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
PubChem CID169065379
Molecular FormulaC73H49N
Molecular Weight940.20 g/mol
Exact Mass939.39
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c2)cc1
InChIInChI=1S/C73H49N/c1-6-21-50(22-7-1)54-37-38-56-48-61(45-41-55(56)47-54)74(69-36-20-35-68-72(69)65-33-18-19-34-67(65)73(68,58-27-12-4-13-28-58)59-29-14-5-15-30-59)60-43-39-51(40-44-60)57-42-46-63-62-31-16-17-32-64(62)70(52-23-8-2-9-24-52)71(66(63)49-57)53-25-10-3-11-26-53/h1-49H
InChIKeyFNNPISZVDUXMFC-UHFFFAOYSA-N
XLogP19.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.20
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065245
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169061887
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063961

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine (CID 169065379) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine?
The InChIKey is FNNPISZVDUXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N/c1-6-21-50(22-7-1)54-37-38-56-48-61(45-41-55(56)47-54)74(69-36-20-35-68-72(69)65-33-18-19-34-67(65)73(68,58-27-12-4-13-28-58)59-29-14-5-15-30-59)60-43-39-51(40-44-60)57-42-46-63-62-31-16-17-32-64(62)70(52-23-8-2-9-24-52)71(66(63)49-57)53-25-10-3-11-26-53/h1-49H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine has a molecular weight of 940.20 g/mol, XLogP of 19.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine is sourced from PubChem (CID 169065379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).