11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine

C67H46N2O2 — CID 90139814

IUPAC11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3cc21
InChIInChI=1S/C67H46N2O2/c1-67(2)59-41-46-39-49(68(47-23-11-5-12-24-47)61-33-17-31-56-54-29-15-27-51(63(54)70-65(56)61)43-19-7-3-8-20-43)36-35-45(46)40-58(59)53-38-37-50(42-60(53)67)69(48-25-13-6-14-26-48)62-34-18-32-57-55-30-16-28-52(64(55)71-66(57)62)44-21-9-4-10-22-44/h3-42H,1-2H3
InChIKeyWHFCEOHLJKBDEX-UHFFFAOYSA-N
MW911.12 g/mol
LogP19.22
Rot. Bonds8

About 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine

11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine (PubChem CID 90139814) has the molecular formula C67H46N2O2 and a molecular weight of 911.12 g/mol. Its IUPAC name is 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine.

Molecular Properties

Compound Name11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
PubChem CID90139814
Molecular FormulaC67H46N2O2
Molecular Weight911.12 g/mol
Exact Mass910.36
IUPAC Name11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3cc21
InChIInChI=1S/C67H46N2O2/c1-67(2)59-41-46-39-49(68(47-23-11-5-12-24-47)61-33-17-31-56-54-29-15-27-51(63(54)70-65(56)61)43-19-7-3-8-20-43)36-35-45(46)40-58(59)53-38-37-50(42-60(53)67)69(48-25-13-6-14-26-48)62-34-18-32-57-55-30-16-28-52(64(55)71-66(57)62)44-21-9-4-10-22-44/h3-42H,1-2H3
InChIKeyWHFCEOHLJKBDEX-UHFFFAOYSA-N
XLogP19.22
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.12
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139827
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
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
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-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137492765
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine
CID 158266678
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine?
The IUPAC name of 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) is 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine.
What is the SMILES notation for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine?
The canonical SMILES for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine is CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3cc21.
What is the InChIKey of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine?
The InChIKey is WHFCEOHLJKBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O2/c1-67(2)59-41-46-39-49(68(47-23-11-5-12-24-47)61-33-17-31-56-54-29-15-27-51(63(54)70-65(56)61)43-19-7-3-8-20-43)36-35-45(46)40-58(59)53-38-37-50(42-60(53)67)69(48-25-13-6-14-26-48)62-34-18-32-57-55-30-16-28-52(64(55)71-66(57)62)44-21-9-4-10-22-44/h3-42H,1-2H3.
What are the key properties of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine?
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine has a molecular weight of 911.12 g/mol, XLogP of 19.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine is sourced from PubChem (CID 90139814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).