N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine

C55H37N — CID 164748052

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C55H37N/c1-4-15-38(16-5-1)41-18-14-23-44(35-41)56(45-30-27-40-29-32-48-47-24-11-10-17-39(47)28-33-49(48)52(40)36-45)46-31-34-51-50-25-12-13-26-53(50)55(54(51)37-46,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyNYPOPIBGJZHLKZ-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.65
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine (PubChem CID 164748052) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
PubChem CID164748052
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C55H37N/c1-4-15-38(16-5-1)41-18-14-23-44(35-41)56(45-30-27-40-29-32-48-47-24-11-10-17-39(47)28-33-49(48)52(40)36-45)46-31-34-51-50-25-12-13-26-53(50)55(54(51)37-46,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyNYPOPIBGJZHLKZ-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.65
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,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
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-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
CID 155297463
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine (CID 164748052) is N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine?
The InChIKey is NYPOPIBGJZHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-4-15-38(16-5-1)41-18-14-23-44(35-41)56(45-30-27-40-29-32-48-47-24-11-10-17-39(47)28-33-49(48)52(40)36-45)46-31-34-51-50-25-12-13-26-53(50)55(54(51)37-46,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine has a molecular weight of 711.91 g/mol, XLogP of 14.65, 6 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-(3-phenylphenyl)chrysen-3-amine is sourced from PubChem (CID 164748052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).