4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline

C70H70N4 — CID 88541137

IUPAC4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c34)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C70H70N4/c1-67(2,3)47-21-29-51(30-22-47)71(52-31-23-48(24-32-52)68(4,5)6)55-37-41-57(42-38-55)73-63-20-16-14-18-61(63)65-64(73)46-45-60-59-17-13-15-19-62(59)74(66(60)65)58-43-39-56(40-44-58)72(53-33-25-49(26-34-53)69(7,8)9)54-35-27-50(28-36-54)70(10,11)12/h13-46H,1-12H3
InChIKeyRTSRRKJMSLVVIK-UHFFFAOYSA-N
MW967.36 g/mol
LogP20.01
Rot. Bonds8

About 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline

4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline (PubChem CID 88541137) has the molecular formula C70H70N4 and a molecular weight of 967.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
PubChem CID88541137
Molecular FormulaC70H70N4
Molecular Weight967.36 g/mol
Exact Mass966.56
IUPAC Name4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c34)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C70H70N4/c1-67(2,3)47-21-29-51(30-22-47)71(52-31-23-48(24-32-52)68(4,5)6)55-37-41-57(42-38-55)73-63-20-16-14-18-61(63)65-64(73)46-45-60-59-17-13-15-19-62(59)74(66(60)65)58-43-39-56(40-44-58)72(53-33-25-49(26-34-53)69(7,8)9)54-35-27-50(28-36-54)70(10,11)12/h13-46H,1-12H3
InChIKeyRTSRRKJMSLVVIK-UHFFFAOYSA-N
XLogP20.01
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.36
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline with MolForge

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Related Compounds

15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
13,32-bis(4-tert-butylphenyl)-2,13,21,32-tetrazaundecacyclo[19.17.1.12,16.03,15.06,14.07,12.022,34.025,33.026,31.035,39.020,40]tetraconta-1(38),3(15),4,6(14),7,9,11,16(40),17,19,22(34),23,25(33),26,28,30,35(39),36-octadecaene
CID 171595199
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline?
The IUPAC name of 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline (CID 88541137) is 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c34)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline?
The InChIKey is RTSRRKJMSLVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70N4/c1-67(2,3)47-21-29-51(30-22-47)71(52-31-23-48(24-32-52)68(4,5)6)55-37-41-57(42-38-55)73-63-20-16-14-18-61(63)65-64(73)46-45-60-59-17-13-15-19-62(59)74(66(60)65)58-43-39-56(40-44-58)72(53-33-25-49(26-34-53)69(7,8)9)54-35-27-50(28-36-54)70(10,11)12/h13-46H,1-12H3.
What are the key properties of 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline?
4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline has a molecular weight of 967.36 g/mol, XLogP of 20.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline is sourced from PubChem (CID 88541137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).