9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine

C70H48N2 — CID 126702904

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cccc21
InChIInChI=1S/C70H48N2/c1-69(2)59-26-13-12-25-55(59)68-63(69)30-17-31-66(68)71(50-37-32-46(33-38-50)45-18-5-3-6-19-45)51-39-34-47(35-40-51)48-36-41-65-57(42-48)58-43-56-54-24-11-16-29-62(54)70(64(56)44-67(58)72(65)49-20-7-4-8-21-49)60-27-14-9-22-52(60)53-23-10-15-28-61(53)70/h3-44H,1-2H3
InChIKeyKYGUVRICRWRRQB-UHFFFAOYSA-N
MW917.17 g/mol
LogP18.24
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine (PubChem CID 126702904) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
PubChem CID126702904
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cccc21
InChIInChI=1S/C70H48N2/c1-69(2)59-26-13-12-25-55(59)68-63(69)30-17-31-66(68)71(50-37-32-46(33-38-50)45-18-5-3-6-19-45)51-39-34-47(35-40-51)48-36-41-65-57(42-48)58-43-56-54-24-11-16-29-62(54)70(64(56)44-67(58)72(65)49-20-7-4-8-21-49)60-27-14-9-22-52(60)53-23-10-15-28-61(53)70/h3-44H,1-2H3
InChIKeyKYGUVRICRWRRQB-UHFFFAOYSA-N
XLogP18.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
CID 118614739
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine;3-[4-[2-(9,9-dimethylfluoren-3-yl)-1-(4-phenylphenyl)ethenyl]phenyl]-9-phenylcarbazole;N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163897873
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 145271614

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine (CID 126702904) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?
The InChIKey is KYGUVRICRWRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-69(2)59-26-13-12-25-55(59)68-63(69)30-17-31-66(68)71(50-37-32-46(33-38-50)45-18-5-3-6-19-45)51-39-34-47(35-40-51)48-36-41-65-57(42-48)58-43-56-54-24-11-16-29-62(54)70(64(56)44-67(58)72(65)49-20-7-4-8-21-49)60-27-14-9-22-52(60)53-23-10-15-28-61(53)70/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine has a molecular weight of 917.17 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 126702904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).