N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine

C41H29N — CID 170130338

IUPACN-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine
SMILESc1ccc(N(c2ccc3ccc4c(c3c2)CCc2ccccc2-4)c2cccc3c2-c2ccc4ccccc4c2C3)cc1
InChIInChI=1S/C41H29N/c1-2-12-31(13-3-1)42(40-16-8-11-30-25-39-34-15-7-5-10-28(34)20-24-37(39)41(30)40)32-21-17-29-19-22-35-33-14-6-4-9-27(33)18-23-36(35)38(29)26-32/h1-17,19-22,24,26H,18,23,25H2
InChIKeyQCASWDQVGHCXBJ-UHFFFAOYSA-N
MW535.69 g/mol
LogP10.80
Rot. Bonds3

About N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine

N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine (PubChem CID 170130338) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine.

Molecular Properties

Compound NameN-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine
PubChem CID170130338
Molecular FormulaC41H29N
Molecular Weight535.69 g/mol
Exact Mass535.23
IUPAC NameN-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine
SMILESc1ccc(N(c2ccc3ccc4c(c3c2)CCc2ccccc2-4)c2cccc3c2-c2ccc4ccccc4c2C3)cc1
InChIInChI=1S/C41H29N/c1-2-12-31(13-3-1)42(40-16-8-11-30-25-39-34-15-7-5-10-28(34)20-24-37(39)41(30)40)32-21-17-29-19-22-35-33-14-6-4-9-27(33)18-23-36(35)38(29)26-32/h1-17,19-22,24,26H,18,23,25H2
InChIKeyQCASWDQVGHCXBJ-UHFFFAOYSA-N
XLogP10.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]-9H-fluoren-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-amine
CID 167596177
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine
CID 174292847

Frequently Asked Questions

What is the IUPAC name of N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine?
The IUPAC name of N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine (CID 170130338) is N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine.
What is the SMILES notation for N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine?
The canonical SMILES for N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine is c1ccc(N(c2ccc3ccc4c(c3c2)CCc2ccccc2-4)c2cccc3c2-c2ccc4ccccc4c2C3)cc1.
What is the InChIKey of N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine?
The InChIKey is QCASWDQVGHCXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-2-12-31(13-3-1)42(40-16-8-11-30-25-39-34-15-7-5-10-28(34)20-24-37(39)41(30)40)32-21-17-29-19-22-35-33-14-6-4-9-27(33)18-23-36(35)38(29)26-32/h1-17,19-22,24,26H,18,23,25H2.
What are the key properties of N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine?
N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine has a molecular weight of 535.69 g/mol, XLogP of 10.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine is sourced from PubChem (CID 170130338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).