N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine

C45H33NO — CID 170228260

IUPACN-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)OC3=CC=CCC34)c3cc4ccc5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C45H33NO/c1-45(2)39-17-9-7-13-33(39)38-26-30(22-24-40(38)45)46(31-21-23-36-35-15-8-10-18-42(35)47-43(36)27-31)41-25-29-20-19-28-11-3-4-12-32(28)44(29)37-16-6-5-14-34(37)41/h3-14,16-27,35H,15H2,1-2H3
InChIKeyLNENCYJVRDUJFK-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.24
Rot. Bonds3

About N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine

N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine (PubChem CID 170228260) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine
PubChem CID170228260
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC NameN-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)OC3=CC=CCC34)c3cc4ccc5ccccc5c4c4ccccc34)ccc21
InChIInChI=1S/C45H33NO/c1-45(2)39-17-9-7-13-33(39)38-26-30(22-24-40(38)45)46(31-21-23-36-35-15-8-10-18-42(35)47-43(36)27-31)41-25-29-20-19-28-11-3-4-12-32(28)44(29)37-16-6-5-14-34(37)41/h3-14,16-27,35H,15H2,1-2H3
InChIKeyLNENCYJVRDUJFK-UHFFFAOYSA-N
XLogP12.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.24
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-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
CID 167184455
N-chrysen-5-yl-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine
CID 170140041
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
2-(9,9a-dihydrodibenzofuran-3-yl)-1-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-phenyl-1,3-diazet-1-ium
CID 167196519
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
N-benzo[c]phenanthren-6-yl-N-(3,4-diphenylphenyl)-9,9a-dihydrodibenzofuran-1-amine
CID 170227731
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167183227
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229752
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine (CID 170228260) is N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)OC3=CC=CCC34)c3cc4ccc5ccccc5c4c4ccccc34)ccc21.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine?
The InChIKey is LNENCYJVRDUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)39-17-9-7-13-33(39)38-26-30(22-24-40(38)45)46(31-21-23-36-35-15-8-10-18-42(35)47-43(36)27-31)41-25-29-20-19-28-11-3-4-12-32(28)44(29)37-16-6-5-14-34(37)41/h3-14,16-27,35H,15H2,1-2H3.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine?
N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine has a molecular weight of 603.77 g/mol, XLogP of 12.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 170228260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).