N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine

C73H49N — CID 169064937

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5cccc6ccccc56)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-24-51(25-6-1)71-65-39-16-15-37-62(65)63-45-43-54(48-67(63)72(71)52-26-7-2-8-27-52)61-36-18-20-42-70(61)74(57-34-21-29-53(47-57)60-40-22-28-50-23-13-14-35-59(50)60)58-44-46-69-66(49-58)64-38-17-19-41-68(64)73(69,55-30-9-3-10-31-55)56-32-11-4-12-33-56/h1-49H
InChIKeyDIASHKVPPOCXKY-UHFFFAOYSA-N
MW940.20 g/mol
LogP19.65
Rot. Bonds9

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 169064937) has the molecular formula C73H49N and a molecular weight of 940.20 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID169064937
Molecular FormulaC73H49N
Molecular Weight940.20 g/mol
Exact Mass939.39
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5cccc6ccccc56)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-24-51(25-6-1)71-65-39-16-15-37-62(65)63-45-43-54(48-67(63)72(71)52-26-7-2-8-27-52)61-36-18-20-42-70(61)74(57-34-21-29-53(47-57)60-40-22-28-50-23-13-14-35-59(50)60)58-44-46-69-66(49-58)64-38-17-19-41-68(64)73(69,55-30-9-3-10-31-55)56-32-11-4-12-33-56/h1-49H
InChIKeyDIASHKVPPOCXKY-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063961
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenylfluoren-3-amine
CID 169065352
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169065431
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063862
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121467
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 169064937) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5cccc6ccccc56)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is DIASHKVPPOCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N/c1-5-24-51(25-6-1)71-65-39-16-15-37-62(65)63-45-43-54(48-67(63)72(71)52-26-7-2-8-27-52)61-36-18-20-42-70(61)74(57-34-21-29-53(47-57)60-40-22-28-50-23-13-14-35-59(50)60)58-44-46-69-66(49-58)64-38-17-19-41-68(64)73(69,55-30-9-3-10-31-55)56-32-11-4-12-33-56/h1-49H.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 169064937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).