7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine

C63H42N2O2 — CID 126550503

IUPAC7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc21
InChIInChI=1S/C63H42N2O2/c1-63(2)53-37-43(64(41-19-5-3-6-20-41)55-29-15-27-48-50-34-31-39-17-9-11-23-44(39)59(50)66-61(48)55)33-36-52(53)58-47-26-14-13-25-46(47)57(38-54(58)63)65(42-21-7-4-8-22-42)56-30-16-28-49-51-35-32-40-18-10-12-24-45(40)60(51)67-62(49)56/h3-38H,1-2H3
InChIKeyNXIDBEOVZGRBPM-UHFFFAOYSA-N
MW859.04 g/mol
LogP18.19
Rot. Bonds6

About 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine

7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 126550503) has the molecular formula C63H42N2O2 and a molecular weight of 859.04 g/mol. Its IUPAC name is 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
PubChem CID126550503
Molecular FormulaC63H42N2O2
Molecular Weight859.04 g/mol
Exact Mass858.32
IUPAC Name7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc21
InChIInChI=1S/C63H42N2O2/c1-63(2)53-37-43(64(41-19-5-3-6-20-41)55-29-15-27-48-50-34-31-39-17-9-11-23-44(39)59(50)66-61(48)55)33-36-52(53)58-47-26-14-13-25-46(47)57(38-54(58)63)65(42-21-7-4-8-22-42)56-30-16-28-49-51-35-32-40-18-10-12-24-45(40)60(51)67-62(49)56/h3-38H,1-2H3
InChIKeyNXIDBEOVZGRBPM-UHFFFAOYSA-N
XLogP18.19
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.04
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N,6-diphenyldibenzofuran-4-amine
CID 90140411
5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine
CID 144613044
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-methylphenyl)dibenzofuran-4-amine
CID 90140402
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The IUPAC name of 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine (CID 126550503) is 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The canonical SMILES for 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)ccc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
The InChIKey is NXIDBEOVZGRBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2/c1-63(2)53-37-43(64(41-19-5-3-6-20-41)55-29-15-27-48-50-34-31-39-17-9-11-23-44(39)59(50)66-61(48)55)33-36-52(53)58-47-26-14-13-25-46(47)57(38-54(58)63)65(42-21-7-4-8-22-42)56-30-16-28-49-51-35-32-40-18-10-12-24-45(40)60(51)67-62(49)56/h3-38H,1-2H3.
What are the key properties of 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine?
7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 859.04 g/mol, XLogP of 18.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 126550503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).