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

C53H38N2 — CID 58903596

IUPACN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C53H38N2/c1-52(2)47-30-33(24-27-39(47)40-29-26-35(32-48(40)52)55-50-22-12-7-17-42(50)43-18-8-13-23-51(43)55)54(3)34-25-28-41-38-16-6-11-21-46(38)53(49(41)31-34)44-19-9-4-14-36(44)37-15-5-10-20-45(37)53/h4-32H,1-3H3
InChIKeySFMSWQDQLMWFAB-UHFFFAOYSA-N
MW702.90 g/mol
LogP13.20
Rot. Bonds3

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

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 58903596) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID58903596
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
SMILESCN(c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C53H38N2/c1-52(2)47-30-33(24-27-39(47)40-29-26-35(32-48(40)52)55-50-22-12-7-17-42(50)43-18-8-13-23-51(43)55)54(3)34-25-28-41-38-16-6-11-21-46(38)53(49(41)31-34)44-19-9-4-14-36(44)37-15-5-10-20-45(37)53/h4-32H,1-3H3
InChIKeySFMSWQDQLMWFAB-UHFFFAOYSA-N
XLogP13.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
CID 134551753
CID 134551753
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
CID 162022075
7-carbazol-9-yl-N,9,9-trimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 58903695
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
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
7-carbazol-9-yl-N-methyl-N,9,9-triphenylfluoren-2-amine;4-carbazol-9-yl-N,2,5-trimethyl-N-phenylaniline;7-carbazol-9-yl-N,9,9-trimethyl-N-phenylfluoren-2-amine
CID 158893163
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
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445

Frequently Asked Questions

What is the IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine (CID 58903596) is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine is CN(c1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is SFMSWQDQLMWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-52(2)47-30-33(24-27-39(47)40-29-26-35(32-48(40)52)55-50-22-12-7-17-42(50)43-18-8-13-23-51(43)55)54(3)34-25-28-41-38-16-6-11-21-46(38)53(49(41)31-34)44-19-9-4-14-36(44)37-15-5-10-20-45(37)53/h4-32H,1-3H3.
What are the key properties of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 702.90 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 58903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).