N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine

C64H43N — CID 135299595

IUPACN,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5ccc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C64H43N/c1-5-20-46(21-6-1)63(47-22-7-2-8-23-47)59-31-17-15-29-54(59)56-39-37-51(42-61(56)63)65(50-36-35-45-34-33-44-19-13-14-28-53(44)58(45)41-50)52-38-40-57-55-30-16-18-32-60(55)64(62(57)43-52,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-43H
InChIKeyFCNHCXCDPZZWAX-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.19
Rot. Bonds7

About N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine

N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine (PubChem CID 135299595) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
PubChem CID135299595
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC NameN,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5ccc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C64H43N/c1-5-20-46(21-6-1)63(47-22-7-2-8-23-47)59-31-17-15-29-54(59)56-39-37-51(42-61(56)63)65(50-36-35-45-34-33-44-19-13-14-28-53(44)58(45)41-50)52-38-40-57-55-30-16-18-32-60(55)64(62(57)43-52,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-43H
InChIKeyFCNHCXCDPZZWAX-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.19
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-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
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-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290726
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine (CID 135299595) is N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5ccc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine?
The InChIKey is FCNHCXCDPZZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-5-20-46(21-6-1)63(47-22-7-2-8-23-47)59-31-17-15-29-54(59)56-39-37-51(42-61(56)63)65(50-36-35-45-34-33-44-19-13-14-28-53(44)58(45)41-50)52-38-40-57-55-30-16-18-32-60(55)64(62(57)43-52,48-24-9-3-10-25-48)49-26-11-4-12-27-49/h1-43H.
What are the key properties of N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine?
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine has a molecular weight of 826.06 g/mol, XLogP of 16.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine is sourced from PubChem (CID 135299595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).