N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C69H47N — CID 155304340

IUPACN-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-5-19-48(20-6-1)49-33-35-50(36-34-49)51-37-39-52(40-38-51)53-41-43-57(44-42-53)70(68-63-31-16-14-28-60(63)59-27-13-15-30-62(59)67(68)54-21-7-2-8-22-54)58-45-46-66-64(47-58)61-29-17-18-32-65(61)69(66,55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-47H
InChIKeyXPGRDELZOQMYIT-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155304340) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155304340
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C69H47N/c1-5-19-48(20-6-1)49-33-35-50(36-34-49)51-37-39-52(40-38-51)53-41-43-57(44-42-53)70(68-63-31-16-14-28-60(63)59-27-13-15-30-62(59)67(68)54-21-7-2-8-22-54)58-45-46-66-64(47-58)61-29-17-18-32-65(61)69(66,55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-47H
InChIKeyXPGRDELZOQMYIT-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.14
LogP ≤ 518.49
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-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303863
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-[4-[5-[10-[N-(9,9-diphenylfluoren-3-yl)-4-(4-phenylphenyl)anilino]phenanthren-9-yl]naphthalen-2-yl]phenyl]phenyl]-3-phenylphenyl]-10-naphthalen-2-ylphenanthren-9-amine
CID 155305461
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453333
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155304340) is N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5c(-c6ccccc6)c6ccccc6c6ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is XPGRDELZOQMYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-5-19-48(20-6-1)49-33-35-50(36-34-49)51-37-39-52(40-38-51)53-41-43-57(44-42-53)70(68-63-31-16-14-28-60(63)59-27-13-15-30-62(59)67(68)54-21-7-2-8-22-54)58-45-46-66-64(47-58)61-29-17-18-32-65(61)69(66,55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 890.14 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).