3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

C59H40N2 — CID 168775134

IUPAC3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C59H40N2/c1-5-19-41(20-6-1)42-33-35-46(36-34-42)61(45-25-11-4-12-26-45)57-40-56-58(50-29-14-13-28-49(50)57)51-30-16-18-32-54(51)59(56)53-31-17-15-27-48(53)52-39-47(37-38-55(52)59)60(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40H
InChIKeyXJIIKMWPGNVZOW-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.79
Rot. Bonds7

About 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine

3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (PubChem CID 168775134) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.

Molecular Properties

Compound Name3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
PubChem CID168775134
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C59H40N2/c1-5-19-41(20-6-1)42-33-35-46(36-34-42)61(45-25-11-4-12-26-45)57-40-56-58(50-29-14-13-28-49(50)57)51-30-16-18-32-54(51)59(56)53-31-17-15-27-48(53)52-39-47(37-38-55(52)59)60(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40H
InChIKeyXJIIKMWPGNVZOW-UHFFFAOYSA-N
XLogP15.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N',5-N,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[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 137492787
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492974
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The IUPAC name of 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine (CID 168775134) is 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine.
What is the SMILES notation for 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The canonical SMILES for 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
The InChIKey is XJIIKMWPGNVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-19-41(20-6-1)42-33-35-46(36-34-42)61(45-25-11-4-12-26-45)57-40-56-58(50-29-14-13-28-49(50)57)51-30-16-18-32-54(51)59(56)53-31-17-15-27-48(53)52-39-47(37-38-55(52)59)60(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-40H.
What are the key properties of 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine?
3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine has a molecular weight of 776.98 g/mol, XLogP of 15.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine is sourced from PubChem (CID 168775134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).