6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine

C41H35NO — CID 90139827

IUPAC6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)cccc12
InChIInChI=1S/C41H35NO/c1-40(2,3)34-19-11-17-31-32-18-12-20-37(39(32)43-38(31)34)42(28-15-7-6-8-16-28)29-21-22-30-33-23-26-13-9-10-14-27(26)24-35(33)41(4,5)36(30)25-29/h6-25H,1-5H3
InChIKeyDPKPFKRKQBWQSM-UHFFFAOYSA-N
MW557.74 g/mol
LogP11.81
Rot. Bonds3

About 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine

6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine (PubChem CID 90139827) has the molecular formula C41H35NO and a molecular weight of 557.74 g/mol. Its IUPAC name is 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
PubChem CID90139827
Molecular FormulaC41H35NO
Molecular Weight557.74 g/mol
Exact Mass557.27
IUPAC Name6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)cccc12
InChIInChI=1S/C41H35NO/c1-40(2,3)34-19-11-17-31-32-18-12-20-37(39(32)43-38(31)34)42(28-15-7-6-8-16-28)29-21-22-30-33-23-26-13-9-10-14-27(26)24-35(33)41(4,5)36(30)25-29/h6-25H,1-5H3
InChIKeyDPKPFKRKQBWQSM-UHFFFAOYSA-N
XLogP11.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
6-tert-butyl-N-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032213
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 176751175
9-N,25-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497473
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-N,6-diphenyldibenzofuran-4-amine
CID 90140458
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
12,12-dimethyl-7-N,17-N-bis(6-methyldibenzofuran-4-yl)-7-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
CID 90140416
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine (CID 90139827) is 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)cccc12.
What is the InChIKey of 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine?
The InChIKey is DPKPFKRKQBWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35NO/c1-40(2,3)34-19-11-17-31-32-18-12-20-37(39(32)43-38(31)34)42(28-15-7-6-8-16-28)29-21-22-30-33-23-26-13-9-10-14-27(26)24-35(33)41(4,5)36(30)25-29/h6-25H,1-5H3.
What are the key properties of 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine?
6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine has a molecular weight of 557.74 g/mol, XLogP of 11.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 90139827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).