9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine

C65H48N6 — CID 155473648

IUPAC9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H48N6/c1-65(2)57-43-53(68(47-19-7-3-8-20-47)51-35-31-45(32-36-51)63-66-59-27-15-17-29-61(59)70(63)49-23-11-5-12-24-49)39-41-55(57)56-42-40-54(44-58(56)65)69(48-21-9-4-10-22-48)52-37-33-46(34-38-52)64-67-60-28-16-18-30-62(60)71(64)50-25-13-6-14-26-50/h3-44H,1-2H3
InChIKeyYQBDVUKFPUBFCS-UHFFFAOYSA-N
MW913.14 g/mol
LogP16.94
Rot. Bonds10

About 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine

9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine (PubChem CID 155473648) has the molecular formula C65H48N6 and a molecular weight of 913.14 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
PubChem CID155473648
Molecular FormulaC65H48N6
Molecular Weight913.14 g/mol
Exact Mass912.39
IUPAC Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H48N6/c1-65(2)57-43-53(68(47-19-7-3-8-20-47)51-35-31-45(32-36-51)63-66-59-27-15-17-29-61(59)70(63)49-23-11-5-12-24-49)39-41-55(57)56-42-40-54(44-58(56)65)69(48-21-9-4-10-22-48)52-37-33-46(34-38-52)64-67-60-28-16-18-30-62(60)71(64)50-25-13-6-14-26-50/h3-44H,1-2H3
InChIKeyYQBDVUKFPUBFCS-UHFFFAOYSA-N
XLogP16.94
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163979746
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine
CID 172504146
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine (CID 155473648) is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine?
The InChIKey is YQBDVUKFPUBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N6/c1-65(2)57-43-53(68(47-19-7-3-8-20-47)51-35-31-45(32-36-51)63-66-59-27-15-17-29-61(59)70(63)49-23-11-5-12-24-49)39-41-55(57)56-42-40-54(44-58(56)65)69(48-21-9-4-10-22-48)52-37-33-46(34-38-52)64-67-60-28-16-18-30-62(60)71(64)50-25-13-6-14-26-50/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine?
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine has a molecular weight of 913.14 g/mol, XLogP of 16.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 155473648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).