7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C58H40N2 — CID 58084613

IUPAC7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc21
InChIInChI=1S/C58H40N2/c1-57(2)49-23-11-6-18-41(49)44-31-28-38(34-52(44)57)59(37-16-4-3-5-17-37)39-29-32-45-46-33-30-40(60-55-26-14-9-21-47(55)48-22-10-15-27-56(48)60)36-54(46)58(53(45)35-39)50-24-12-7-19-42(50)43-20-8-13-25-51(43)58/h3-36H,1-2H3
InChIKeyUMBLRWGJROGVSO-UHFFFAOYSA-N
MW764.97 g/mol
LogP14.90
Rot. Bonds4

About 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 58084613) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID58084613
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc21
InChIInChI=1S/C58H40N2/c1-57(2)49-23-11-6-18-41(49)44-31-28-38(34-52(44)57)59(37-16-4-3-5-17-37)39-29-32-45-46-33-30-40(60-55-26-14-9-21-47(55)48-22-10-15-27-56(48)60)36-54(46)58(53(45)35-39)50-24-12-7-19-42(50)43-20-8-13-25-51(43)58/h3-36H,1-2H3
InChIKeyUMBLRWGJROGVSO-UHFFFAOYSA-N
XLogP14.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 159685688
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605
9-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170690174
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627

Frequently Asked Questions

What is the IUPAC name of 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 58084613) is 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc21.
What is the InChIKey of 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is UMBLRWGJROGVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-57(2)49-23-11-6-18-41(49)44-31-28-38(34-52(44)57)59(37-16-4-3-5-17-37)39-29-32-45-46-33-30-40(60-55-26-14-9-21-47(55)48-22-10-15-27-56(48)60)36-54(46)58(53(45)35-39)50-24-12-7-19-42(50)43-20-8-13-25-51(43)58/h3-36H,1-2H3.
What are the key properties of 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 764.97 g/mol, XLogP of 14.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 58084613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).