N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene

C85H62N4O2 — CID 144714479

IUPACN-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(ccc5c4c4ccccc4n5-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c6ccccc6n5-c5ccc6oc7ccccc7c6c5)c43)cc21.Cc1ccccc1C(C)C
InChIInChI=1S/C75H48N4O2.C10H14/c1-75(2)60-25-11-6-19-50(60)51-37-35-49(44-61(51)75)79-72-54(55-39-41-65-71(73(55)79)58-23-8-13-27-63(58)78(65)48-36-42-69-59(43-48)53-21-10-14-29-67(53)80-69)38-40-64-70(72)57-22-7-12-26-62(57)77(64)47-33-31-46(32-34-47)76(45-17-4-3-5-18-45)66-28-16-24-56-52-20-9-15-30-68(52)81-74(56)66;1-8(2)10-7-5-4-6-9(10)3/h3-44H,1-2H3;4-8H,1-3H3
InChIKeyYLTJGFNILMDOPW-UHFFFAOYSA-N
MW1171.46 g/mol
LogP23.67
Rot. Bonds7

About N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene

N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene (PubChem CID 144714479) has the molecular formula C85H62N4O2 and a molecular weight of 1171.46 g/mol. Its IUPAC name is N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound NameN-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene
PubChem CID144714479
Molecular FormulaC85H62N4O2
Molecular Weight1171.46 g/mol
Exact Mass1170.49
IUPAC NameN-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(ccc5c4c4ccccc4n5-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c6ccccc6n5-c5ccc6oc7ccccc7c6c5)c43)cc21.Cc1ccccc1C(C)C
InChIInChI=1S/C75H48N4O2.C10H14/c1-75(2)60-25-11-6-19-50(60)51-37-35-49(44-61(51)75)79-72-54(55-39-41-65-71(73(55)79)58-23-8-13-27-63(58)78(65)48-36-42-69-59(43-48)53-21-10-14-29-67(53)80-69)38-40-64-70(72)57-22-7-12-26-62(57)77(64)47-33-31-46(32-34-47)76(45-17-4-3-5-18-45)66-28-16-24-56-52-20-9-15-30-68(52)81-74(56)66;1-8(2)10-7-5-4-6-9(10)3/h3-44H,1-2H3;4-8H,1-3H3
InChIKeyYLTJGFNILMDOPW-UHFFFAOYSA-N
XLogP23.67
TPSA44.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.46
LogP ≤ 523.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene with MolForge

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Related Compounds

N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651753
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 67964581
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 159339591
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
5-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125

Frequently Asked Questions

What is the IUPAC name of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene?
The IUPAC name of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene (CID 144714479) is N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene?
The canonical SMILES for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene is CC1(C)c2ccccc2-c2ccc(-n3c4c(ccc5c4c4ccccc4n5-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c6ccccc6n5-c5ccc6oc7ccccc7c6c5)c43)cc21.Cc1ccccc1C(C)C.
What is the InChIKey of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene?
The InChIKey is YLTJGFNILMDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N4O2.C10H14/c1-75(2)60-25-11-6-19-50(60)51-37-35-49(44-61(51)75)79-72-54(55-39-41-65-71(73(55)79)58-23-8-13-27-63(58)78(65)48-36-42-69-59(43-48)53-21-10-14-29-67(53)80-69)38-40-64-70(72)57-22-7-12-26-62(57)77(64)47-33-31-46(32-34-47)76(45-17-4-3-5-18-45)66-28-16-24-56-52-20-9-15-30-68(52)81-74(56)66;1-8(2)10-7-5-4-6-9(10)3/h3-44H,1-2H3;4-8H,1-3H3.
What are the key properties of N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene?
N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene has a molecular weight of 1171.46 g/mol, XLogP of 23.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine;1-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 144714479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).