2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine

C60H54N2 — CID 134442782

IUPAC2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine
SMILESCC1(C)C2=CC=CCC2c2ccc(N(C3=NC(c4ccc(-c5c6c(cc7ccccc57)C(C)(C)C5C=CC=CC65C)cc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H54N2/c1-57(2)47-20-12-10-18-43(47)45-29-27-40(35-49(45)57)62(41-28-30-46-44-19-11-13-21-48(44)58(3,4)50(46)36-41)54-32-31-52(61-54)37-23-25-38(26-24-37)55-42-17-9-8-16-39(42)34-51-56(55)60(7)33-15-14-22-53(60)59(51,5)6/h8-18,20-36,44,52-53H,19H2,1-7H3
InChIKeyUYDIZLZWDKZTGT-UHFFFAOYSA-N
MW803.11 g/mol
LogP15.21
Rot. Bonds4

About 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine

2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine (PubChem CID 134442782) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine
PubChem CID134442782
Molecular FormulaC60H54N2
Molecular Weight803.11 g/mol
Exact Mass802.43
IUPAC Name2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine
SMILESCC1(C)C2=CC=CCC2c2ccc(N(C3=NC(c4ccc(-c5c6c(cc7ccccc57)C(C)(C)C5C=CC=CC65C)cc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H54N2/c1-57(2)47-20-12-10-18-43(47)45-29-27-40(35-49(45)57)62(41-28-30-46-44-19-11-13-21-48(44)58(3,4)50(46)36-41)54-32-31-52(61-54)37-23-25-38(26-24-37)55-42-17-9-8-16-39(42)34-51-56(55)60(7)33-15-14-22-53(60)59(51,5)6/h8-18,20-36,44,52-53H,19H2,1-7H3
InChIKeyUYDIZLZWDKZTGT-UHFFFAOYSA-N
XLogP15.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.11
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine with MolForge

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Related Compounds

N-[3-[7-[3-[(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-(9,9-dimethylfluoren-2-yl)amino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89356016
7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
CID 171044967
3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine
CID 137388118
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
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N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 170243434
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 122674931
9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 174306082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine?
The IUPAC name of 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine (CID 134442782) is 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine.
What is the SMILES notation for 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine?
The canonical SMILES for 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine is CC1(C)C2=CC=CCC2c2ccc(N(C3=NC(c4ccc(-c5c6c(cc7ccccc57)C(C)(C)C5C=CC=CC65C)cc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine?
The InChIKey is UYDIZLZWDKZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2/c1-57(2)47-20-12-10-18-43(47)45-29-27-40(35-49(45)57)62(41-28-30-46-44-19-11-13-21-48(44)58(3,4)50(46)36-41)54-32-31-52(61-54)37-23-25-38(26-24-37)55-42-17-9-8-16-39(42)34-51-56(55)60(7)33-15-14-22-53(60)59(51,5)6/h8-18,20-36,44,52-53H,19H2,1-7H3.
What are the key properties of 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine?
2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine has a molecular weight of 803.11 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4a,11,11-trimethyl-11aH-benzo[b]fluoren-5-yl)phenyl]-N-(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-2H-pyrrol-5-amine is sourced from PubChem (CID 134442782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).