N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine

C70H49N — CID 169064747

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc21
InChIInChI=1S/C70H49N/c1-70(54-30-15-6-16-31-54)65-37-20-19-33-61(65)63-47-56(43-45-66(63)70)71(69-57(49-22-7-2-8-23-49)35-21-36-58(69)50-24-9-3-10-25-50)55-41-38-48(39-42-55)53-40-44-60-59-32-17-18-34-62(59)67(51-26-11-4-12-27-51)68(64(60)46-53)52-28-13-5-14-29-52/h2-47H,1H3
InChIKeyHLLOLYYBKCZAQO-UHFFFAOYSA-N
MW904.17 g/mol
LogP19.13
Rot. Bonds9

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine (PubChem CID 169064747) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
PubChem CID169064747
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc21
InChIInChI=1S/C70H49N/c1-70(54-30-15-6-16-31-54)65-37-20-19-33-61(65)63-47-56(43-45-66(63)70)71(69-57(49-22-7-2-8-23-49)35-21-36-58(69)50-24-9-3-10-25-50)55-41-38-48(39-42-55)53-40-44-60-59-32-17-18-34-62(59)67(51-26-11-4-12-27-51)68(64(60)46-53)52-28-13-5-14-29-52/h2-47H,1H3
InChIKeyHLLOLYYBKCZAQO-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 519.13
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]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
CID 169063795
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 169063045
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenylfluoren-1-amine
CID 169063994

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine (CID 169064747) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc21.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine?
The InChIKey is HLLOLYYBKCZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-70(54-30-15-6-16-31-54)65-37-20-19-33-61(65)63-47-56(43-45-66(63)70)71(69-57(49-22-7-2-8-23-49)35-21-36-58(69)50-24-9-3-10-25-50)55-41-38-48(39-42-55)53-40-44-60-59-32-17-18-34-62(59)67(51-26-11-4-12-27-51)68(64(60)46-53)52-28-13-5-14-29-52/h2-47H,1H3.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine has a molecular weight of 904.17 g/mol, XLogP of 19.13, 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]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine is sourced from PubChem (CID 169064747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).