N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C49H37N — CID 139363610

IUPACN-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c21
InChIInChI=1S/C49H37N/c1-49(2)47-16-10-9-15-44(47)45-32-25-39-17-18-40(33-46(39)48(45)49)38-23-30-43(31-24-38)50(41-26-19-36(20-27-41)34-11-5-3-6-12-34)42-28-21-37(22-29-42)35-13-7-4-8-14-35/h3-33H,1-2H3
InChIKeyLSUIQFWYJAPUDV-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 139363610) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID139363610
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c21
InChIInChI=1S/C49H37N/c1-49(2)47-16-10-9-15-44(47)45-32-25-39-17-18-40(33-46(39)48(45)49)38-23-30-43(31-24-38)50(41-26-19-36(20-27-41)34-11-5-3-6-12-34)42-28-21-37(22-29-42)35-13-7-4-8-14-35/h3-33H,1-2H3
InChIKeyLSUIQFWYJAPUDV-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11,12,12-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)indeno[2,1-a]fluoren-2-amine
CID 118122816
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855
3-(3,3-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)-N,N-bis(4-phenylphenyl)aniline
CID 140905740
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
3-N-(11,11-dimethylbenzo[a]fluoren-8-yl)-1-N,1-N-diphenyl-3-N-[3-(N-(4-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 146601454
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine
CID 164721921

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 139363610) is N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c21.
What is the InChIKey of N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LSUIQFWYJAPUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)47-16-10-9-15-44(47)45-32-25-39-17-18-40(33-46(39)48(45)49)38-23-30-43(31-24-38)50(41-26-19-36(20-27-41)34-11-5-3-6-12-34)42-28-21-37(22-29-42)35-13-7-4-8-14-35/h3-33H,1-2H3.
What are the key properties of N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 139363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).