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

C51H33NO — CID 142589034

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C51H33NO/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)47-21-11-9-19-42(47)43-29-27-40(33-48(43)51)52(39-28-30-50-46(32-39)44-20-10-12-22-49(44)53-50)38-26-25-35-24-23-34-13-7-8-18-41(34)45(35)31-38/h1-33H
InChIKeyGJECXOBPQXCVPT-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.73
Rot. Bonds5

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

N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 142589034) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
PubChem CID142589034
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C51H33NO/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)47-21-11-9-19-42(47)43-29-27-40(33-48(43)51)52(39-28-30-50-46(32-39)44-20-10-12-22-49(44)53-50)38-26-25-35-24-23-34-13-7-8-18-41(34)45(35)31-38/h1-33H
InChIKeyGJECXOBPQXCVPT-UHFFFAOYSA-N
XLogP13.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.83
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779664
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine (CID 142589034) is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is GJECXOBPQXCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)47-21-11-9-19-42(47)43-29-27-40(33-48(43)51)52(39-28-30-50-46(32-39)44-20-10-12-22-49(44)53-50)38-26-25-35-24-23-34-13-7-8-18-41(34)45(35)31-38/h1-33H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 675.83 g/mol, XLogP of 13.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 142589034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).