N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

C67H45N — CID 169064351

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c3ccccc23)cc1
InChIInChI=1S/C67H45N/c1-5-21-48(22-6-1)65-61-33-16-15-31-57(61)58-42-40-53(44-62(58)66(65)49-23-7-2-8-24-49)68(52-38-36-47(37-39-52)56-34-19-25-46-20-13-14-30-55(46)56)54-41-43-60-59-32-17-18-35-63(59)67(64(60)45-54,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H
InChIKeyVHXMWRFDDSFEJN-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.98
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169064351) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169064351
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c3ccccc23)cc1
InChIInChI=1S/C67H45N/c1-5-21-48(22-6-1)65-61-33-16-15-31-57(61)58-42-40-53(44-62(58)66(65)49-23-7-2-8-24-49)68(52-38-36-47(37-39-52)56-34-19-25-46-20-13-14-30-55(46)56)54-41-43-60-59-32-17-18-35-63(59)67(64(60)45-54,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H
InChIKeyVHXMWRFDDSFEJN-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.98
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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452406
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
CID 59136653

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169064351) is N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is VHXMWRFDDSFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-5-21-48(22-6-1)65-61-33-16-15-31-57(61)58-42-40-53(44-62(58)66(65)49-23-7-2-8-24-49)68(52-38-36-47(37-39-52)56-34-19-25-46-20-13-14-30-55(46)56)54-41-43-60-59-32-17-18-35-63(59)67(64(60)45-54,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 864.10 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169064351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).