2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine

C55H41N3 — CID 139840164

IUPAC2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine
SMILESCn1c(N(c2ccccc2)c2ccc3c(c2)Cc2ccccc2-3)c(-c2ccccc2)c(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C55H41N3/c1-56-54(57(44-24-10-4-11-25-44)46-30-32-50-42(36-46)34-40-22-14-16-28-48(40)50)52(38-18-6-2-7-19-38)53(39-20-8-3-9-21-39)55(56)58(45-26-12-5-13-27-45)47-31-33-51-43(37-47)35-41-23-15-17-29-49(41)51/h2-33,36-37H,34-35H2,1H3
InChIKeyQGBNNBUKAPWTPV-UHFFFAOYSA-N
MW743.95 g/mol
LogP14.44
Rot. Bonds8

About 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine

2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine (PubChem CID 139840164) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine
PubChem CID139840164
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC Name2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine
SMILESCn1c(N(c2ccccc2)c2ccc3c(c2)Cc2ccccc2-3)c(-c2ccccc2)c(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C55H41N3/c1-56-54(57(44-24-10-4-11-25-44)46-30-32-50-42(36-46)34-40-22-14-16-28-48(40)50)52(38-18-6-2-7-19-38)53(39-20-8-3-9-21-39)55(56)58(45-26-12-5-13-27-45)47-31-33-51-43(37-47)35-41-23-15-17-29-49(41)51/h2-33,36-37H,34-35H2,1H3
InChIKeyQGBNNBUKAPWTPV-UHFFFAOYSA-N
XLogP14.44
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
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
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
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-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine?
The IUPAC name of 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine (CID 139840164) is 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine is Cn1c(N(c2ccccc2)c2ccc3c(c2)Cc2ccccc2-3)c(-c2ccccc2)c(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine?
The InChIKey is QGBNNBUKAPWTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3/c1-56-54(57(44-24-10-4-11-25-44)46-30-32-50-42(36-46)34-40-22-14-16-28-48(40)50)52(38-18-6-2-7-19-38)53(39-20-8-3-9-21-39)55(56)58(45-26-12-5-13-27-45)47-31-33-51-43(37-47)35-41-23-15-17-29-49(41)51/h2-33,36-37H,34-35H2,1H3.
What are the key properties of 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine?
2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine has a molecular weight of 743.95 g/mol, XLogP of 14.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine is sourced from PubChem (CID 139840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).