N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine

C46H37N — CID 169280376

IUPACN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C46H37N/c1-45(2)38-25-15-13-21-33(38)34-28-27-32(29-40(34)45)47(31-19-9-6-10-20-31)44-36-23-12-11-22-35(36)43-42(41(44)30-17-7-5-8-18-30)37-24-14-16-26-39(37)46(43,3)4/h5-29H,1-4H3
InChIKeyGNVGFXQAJMNVNV-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine (PubChem CID 169280376) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
PubChem CID169280376
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C46H37N/c1-45(2)38-25-15-13-21-33(38)34-28-27-32(29-40(34)45)47(31-19-9-6-10-20-31)44-36-23-12-11-22-35(36)43-42(41(44)30-17-7-5-8-18-30)37-24-14-16-26-39(37)46(43,3)4/h5-29H,1-4H3
InChIKeyGNVGFXQAJMNVNV-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
CID 169280693
11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280252
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221652
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine (CID 169280376) is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine?
The InChIKey is GNVGFXQAJMNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-45(2)38-25-15-13-21-33(38)34-28-27-32(29-40(34)45)47(31-19-9-6-10-20-31)44-36-23-12-11-22-35(36)43-42(41(44)30-17-7-5-8-18-30)37-24-14-16-26-39(37)46(43,3)4/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine?
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine has a molecular weight of 603.81 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine is sourced from PubChem (CID 169280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).