4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline

C39H29N — CID 121465169

IUPAC4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
SMILESCN(c1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C39H29N/c1-40(34-17-12-26(13-18-34)28-16-21-38-33(22-28)24-31-7-2-4-8-36(31)38)35-19-14-27(15-20-35)29-10-11-32-23-30-6-3-5-9-37(30)39(32)25-29/h2-22,25H,23-24H2,1H3
InChIKeyZPOOHRCMWRHWGA-UHFFFAOYSA-N
MW511.67 g/mol
LogP9.93
Rot. Bonds4

About 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline

4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline (PubChem CID 121465169) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
PubChem CID121465169
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC Name4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
SMILESCN(c1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C39H29N/c1-40(34-17-12-26(13-18-34)28-16-21-38-33(22-28)24-31-7-2-4-8-36(31)38)35-19-14-27(15-20-35)29-10-11-32-23-30-6-3-5-9-37(30)39(32)25-29/h2-22,25H,23-24H2,1H3
InChIKeyZPOOHRCMWRHWGA-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
CID 145318490
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
CID 164833806
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline?
The IUPAC name of 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline (CID 121465169) is 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline?
The canonical SMILES for 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline is CN(c1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline?
The InChIKey is ZPOOHRCMWRHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-40(34-17-12-26(13-18-34)28-16-21-38-33(22-28)24-31-7-2-4-8-36(31)38)35-19-14-27(15-20-35)29-10-11-32-23-30-6-3-5-9-37(30)39(32)25-29/h2-22,25H,23-24H2,1H3.
What are the key properties of 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline?
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline has a molecular weight of 511.67 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline is sourced from PubChem (CID 121465169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).